Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-
Basic information
- CAS
68003-27-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC- InChIKey
UQIANWRUIZTUBA-UHFFFAOYSA-N- Molecular formula
- C43H84N4O2
- Average molar mass
- 689.2 g/mol
- Monoisotopic mass
- 688.65942793
Names & identifiers
- Preferred name
- Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-
- IUPAC
- N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide
- English name
- N-(2-Cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]octadecanamide
- Molecular formula
- C43H84N4O2
- Molecular weight
- 689.15
Names & synonyms
Octadecanamide, N-(2-cyanoethyl)-N-(2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-DTXSID3070961Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-RefChem:855507DTXCID904539268003-27-0UQIANWRUIZTUBA-UHFFFAOYSA-NN-(2-Cyanoethyl)-N-{2-[(2-octadecanamidoethyl)amino]ethyl}octadecanamideN-(2-Cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]octadecanamide
Database identifiers
- CAS
68003-27-0- PubChem CID
- 106342
- DTXSID
DTXSID3070961- Nikkaji
- J423.184H
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 40
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- EPA Substance Registry System
- 2 · Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]- (68003-27-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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